smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@H](O)[C@@H]1OC(=O)[C@H](OC(=O)c2cc(O)c([O-])c(O)c2)[C@H]1O ZINC000015249507 560229625 /nfs/dbraw/zinc/22/96/25/560229625.db2.gz GGQABIPBZKETPQ-SGIHWFKDSA-N -2 3 344.228 -1.939 1 10 biogenic,in-vitro EACFHL O=C([O-])[C@H](OC(=O)c1cc(O)c([O-])c(O)c1)[C@H]1OC(=O)[C@@H](O)[C@@H]1O ZINC000015249549 560097042 /nfs/dbraw/zinc/09/70/42/560097042.db2.gz SVYWZVZMBHFNGC-AATLWQCWSA-N -2 3 344.228 -1.939 1 10 endogenous,in-man EACFHL O=C([O-])[C@@H](O)[C@@H]1OC(=O)[C@H](O)[C@H]1OC(=O)c1cc(O)c([O-])c(O)c1 ZINC000038962278 290946822 /nfs/dbraw/zinc/94/68/22/290946822.db2.gz AKRXKEBXBSHTKE-QCLAVDOMSA-N -2 3 344.228 -1.939 1 10 biogenic,in-vitro EACFHL